1-N-[(2,4-dichlorophenyl)methyl]-4-N-[2-(oxan-4-yl)ethyl]piperidine-1,4-dicarboxamide

C21H29Cl2N3O3 — CID 24748515

IUPAC1-N-[(2,4-dichlorophenyl)methyl]-4-N-[2-(oxan-4-yl)ethyl]piperidine-1,4-dicarboxamide
SMILESO=C(NCCC1CCOCC1)C1CCN(C(=O)NCc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C21H29Cl2N3O3/c22-18-2-1-17(19(23)13-18)14-25-21(28)26-9-4-16(5-10-26)20(27)24-8-3-15-6-11-29-12-7-15/h1-2,13,15-16H,3-12,14H2,(H,24,27)(H,25,28)
InChIKeyTUNPYFWVLHTHGE-UHFFFAOYSA-N
MW442.39 g/mol
LogP3.85
Rot. Bonds6

About 1-N-[(2,4-dichlorophenyl)methyl]-4-N-[2-(oxan-4-yl)ethyl]piperidine-1,4-dicarboxamide

1-N-[(2,4-dichlorophenyl)methyl]-4-N-[2-(oxan-4-yl)ethyl]piperidine-1,4-dicarboxamide (PubChem CID 24748515) has the molecular formula C21H29Cl2N3O3 and a molecular weight of 442.39 g/mol. Its IUPAC name is 1-N-[(2,4-dichlorophenyl)methyl]-4-N-[2-(oxan-4-yl)ethyl]piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-[(2,4-dichlorophenyl)methyl]-4-N-[2-(oxan-4-yl)ethyl]piperidine-1,4-dicarboxamide
PubChem CID24748515
Molecular FormulaC21H29Cl2N3O3
Molecular Weight442.39 g/mol
Exact Mass441.16
IUPAC Name1-N-[(2,4-dichlorophenyl)methyl]-4-N-[2-(oxan-4-yl)ethyl]piperidine-1,4-dicarboxamide
SMILESO=C(NCCC1CCOCC1)C1CCN(C(=O)NCc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C21H29Cl2N3O3/c22-18-2-1-17(19(23)13-18)14-25-21(28)26-9-4-16(5-10-26)20(27)24-8-3-15-6-11-29-12-7-15/h1-2,13,15-16H,3-12,14H2,(H,24,27)(H,25,28)
InChIKeyTUNPYFWVLHTHGE-UHFFFAOYSA-N
XLogP3.85
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.39
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-N-[(2,4-dichlorophenyl)methyl]-4-N-[2-(oxan-4-yl)ethyl]piperidine-1,4-dicarboxamide with MolForge

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Related Compounds

N-(2,4-dichlorobenzyl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 24748436
1-(2,4-Dichlorobenzylcarbamoyl)piperidine-4-carboxylic acid
CID 24748473
N1-(2,4-dichlorobenzyl)-N4-(2-(pyrrolidin-1-yl)ethyl)piperidine-1,4-dicarboxamide
CID 24748516
N1-(2,4-dichlorobenzyl)-N4-(2-methoxyethyl)piperidine-1,4-dicarboxamide
CID 24748561
N1-(2,4-dichlorobenzyl)-N4-(tetrahydro-2H-pyran-4-yl)piperidine-1,4-dicarboxamide
CID 24748562
N1-(2,4-dichlorobenzyl)piperidine-1,4-dicarboxamide
CID 46224990
N~4~-(2-chloro-4-fluorobenzyl)-N~1~,N~1~-dimethylpiperidine-1,4-dicarboxamide
CID 3242928
N-cyclohexyl-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 53284580
1-[(2,4-dichlorophenyl)methyl]-N-heptan-2-ylpiperidine-4-carboxamide
CID 118726856
N~4~-(2-chlorobenzyl)-N~1~,N~1~-dimethylpiperidine-1,4-dicarboxamide
CID 3235965
1-[(2,4-dichlorophenyl)methyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 53284560
N-[(2,6-dichlorophenyl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 172434873

Frequently Asked Questions

What is the IUPAC name of 1-N-[(2,4-dichlorophenyl)methyl]-4-N-[2-(oxan-4-yl)ethyl]piperidine-1,4-dicarboxamide?
The IUPAC name of 1-N-[(2,4-dichlorophenyl)methyl]-4-N-[2-(oxan-4-yl)ethyl]piperidine-1,4-dicarboxamide (CID 24748515) is 1-N-[(2,4-dichlorophenyl)methyl]-4-N-[2-(oxan-4-yl)ethyl]piperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-[(2,4-dichlorophenyl)methyl]-4-N-[2-(oxan-4-yl)ethyl]piperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N-[(2,4-dichlorophenyl)methyl]-4-N-[2-(oxan-4-yl)ethyl]piperidine-1,4-dicarboxamide is O=C(NCCC1CCOCC1)C1CCN(C(=O)NCc2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of 1-N-[(2,4-dichlorophenyl)methyl]-4-N-[2-(oxan-4-yl)ethyl]piperidine-1,4-dicarboxamide?
The InChIKey is TUNPYFWVLHTHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29Cl2N3O3/c22-18-2-1-17(19(23)13-18)14-25-21(28)26-9-4-16(5-10-26)20(27)24-8-3-15-6-11-29-12-7-15/h1-2,13,15-16H,3-12,14H2,(H,24,27)(H,25,28).
What are the key properties of 1-N-[(2,4-dichlorophenyl)methyl]-4-N-[2-(oxan-4-yl)ethyl]piperidine-1,4-dicarboxamide?
1-N-[(2,4-dichlorophenyl)methyl]-4-N-[2-(oxan-4-yl)ethyl]piperidine-1,4-dicarboxamide has a molecular weight of 442.39 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(2,4-dichlorophenyl)methyl]-4-N-[2-(oxan-4-yl)ethyl]piperidine-1,4-dicarboxamide is sourced from PubChem (CID 24748515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).